(2-ethoxy-5-nitrophenyl)methanamine

C9H12N2O3 — CID 43472563

IUPAC(2-ethoxy-5-nitrophenyl)methanamine
SMILESCCOc1ccc([N+](=O)[O-])cc1CN
InChIInChI=1S/C9H12N2O3/c1-2-14-9-4-3-8(11(12)13)5-7(9)6-10/h3-5H,2,6,10H2,1H3
InChIKeyMQYIIDMBKQZVEL-UHFFFAOYSA-N
MW196.21 g/mol
LogP1.45
Rot. Bonds4

About (2-ethoxy-5-nitrophenyl)methanamine

(2-ethoxy-5-nitrophenyl)methanamine (PubChem CID 43472563) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is (2-ethoxy-5-nitrophenyl)methanamine.

Molecular Properties

Compound Name(2-ethoxy-5-nitrophenyl)methanamine
PubChem CID43472563
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name(2-ethoxy-5-nitrophenyl)methanamine
SMILESCCOc1ccc([N+](=O)[O-])cc1CN
InChIInChI=1S/C9H12N2O3/c1-2-14-9-4-3-8(11(12)13)5-7(9)6-10/h3-5H,2,6,10H2,1H3
InChIKeyMQYIIDMBKQZVEL-UHFFFAOYSA-N
XLogP1.45
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2-ethoxy-5-nitrophenyl)methanol
CID 28963811
[2-(2-methylidenebutoxy)-5-nitrophenyl]methanamine
CID 66046616
(5-nitro-2-prop-2-enoxyphenyl)methanamine
CID 60889967
1-[2-(aminomethyl)-4-nitrophenoxy]-2-methylbutan-2-ol
CID 114491767
(2-but-3-ynoxy-5-nitrophenyl)methanamine
CID 60889383
[2-(2-chloroprop-2-enoxy)-5-nitrophenyl]methanamine
CID 60889770
1-[2-(aminomethyl)-4-nitrophenoxy]-2,3-dimethylbutan-2-ol
CID 114491769
ethyl 2-[2-(aminomethyl)-4-nitrophenoxy]pentanoate
CID 83036342
[2-[(2,6-dichlorophenyl)methoxy]-5-nitrophenyl]methanamine
CID 60889382
[2-(4-methylcyclohexyl)oxy-5-nitrophenyl]methanamine
CID 64750029
[2-[(5-methyl-3-pyridinyl)methoxy]-5-nitrophenyl]methanamine
CID 102880371
[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]-5-nitrophenyl]methanamine
CID 60888826

Frequently Asked Questions

What is the IUPAC name of (2-ethoxy-5-nitrophenyl)methanamine?
The IUPAC name of (2-ethoxy-5-nitrophenyl)methanamine (CID 43472563) is (2-ethoxy-5-nitrophenyl)methanamine.
What is the SMILES notation for (2-ethoxy-5-nitrophenyl)methanamine?
The canonical SMILES for (2-ethoxy-5-nitrophenyl)methanamine is CCOc1ccc([N+](=O)[O-])cc1CN.
What is the InChIKey of (2-ethoxy-5-nitrophenyl)methanamine?
The InChIKey is MQYIIDMBKQZVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-2-14-9-4-3-8(11(12)13)5-7(9)6-10/h3-5H,2,6,10H2,1H3.
What are the key properties of (2-ethoxy-5-nitrophenyl)methanamine?
(2-ethoxy-5-nitrophenyl)methanamine has a molecular weight of 196.21 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxy-5-nitrophenyl)methanamine is sourced from PubChem (CID 43472563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).